SCHEMBL5824697

SCHEMBL5824697

CCCCOc1ccc(C(=O)N=C=S)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
PLA2G4B P0C869 6/20 0.53
RARB P10826 4/20 0.50
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PLA2G4A P47712 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5824643 0.97 TP53 (0.59) TP53TSHRPLA2G4BRARBGAA
SCHEMBL5824992 0.96 TP53 (0.61) TP53TSHRPLA2G4BRARBGAA
SCHEMBL5824467 0.87 PARP10 (0.54) PLA2G4BL3MBTL1RAB9AALDH1A1HPGD
SCHEMBL20794592 0.80 MAPT (0.49) TSHRGAAL3MBTL1RAB9AALDH1A1
SCHEMBL5824641 0.77 THRA (0.55) RARBMEN1ALDH1A1KMT2A
SCHEMBL7985774 0.76 TSHR (0.55) TP53TSHRPLA2G4BRARBGAA
SCHEMBL21138607 0.76 TP53 (0.69) TP53TSHRPLA2G4BRARBGAA
SCHEMBL8769969 0.76 TP53 (0.68) TP53TSHRPLA2G4BRARBGAA
SCHEMBL5824599 0.76 PLK1 (0.50) RARBGAAL3MBTL1RAB9AALDH1A1
SCHEMBL7973512 0.75 TSHR (0.54) TP53TSHRPLA2G4BRARBGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA TP53 2642/4885TSHR 293/4885PLA2G4B 3938/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA TP53 2896/4885TSHR 394/4885PLA2G4B 4107/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.